转换移动窗口因子分析法用于中药组合前后成分变化分析

以正十四烷为内标,采用气相色谱-质谱(GC/MS)联用技术对中药甘草(GUF)、甘遂(EKL)单味药材,以及其组成的药对(GUF-EKL)的挥发成分进行测定,基于一种新的化学计量学方法——转换移动窗口因子分析法(AMWFA)和直观推导式演进特征投影法(HELP)对产生的二维色谱/质谱数据同时进行分辨和解析,获取各个组分的纯色谱曲线和质谱,根据分辨得到的纯质谱在质谱库中进行相似检索以实现对组分的定性。利用AMWFA对组合前后的成分进行归属分析,然后采用面积归一法进行定量。分别在甘草、甘遂及其药对中鉴定出52、51和63个成分,占各自挥发油成分的84%、90%和75%。     

Studies on the Structure of Kansuinine A from Euphorbia kansui

Kansuinine A is a macrocyclic jatrophane diterpene that was isolated from Euphorbia kansui.Further investigation of the structure was revealed that the benzoyl group located at C-8 and the position of C-3 was the present of an acetyl group by means of HMQC,HMBC spectra.     

传统中药甘遂根中二萜类化学成分的电喷雾质谱研究

应用电喷雾多级串联质谱技术对传统中药甘遂根中的弱极性部分化学成分进行了分析鉴定, 根据串联质谱数据, 共鉴定出39个化合物. 其中包括9个新化合物: 分别为3-O-(2,3-二甲基丁酰基)-13,20-O-双十二烷酰基巨大戟萜醇(1)、3-O-(2,3-二甲基丁酰基)-13-O-癸酰基-20-O-十六烷酰基巨大戟萜醇(2)、3-O-(2,3-二甲基丁酰基)-13-O-十二烷酰基-20-O-[(9Z,12Z)-十八烷-9,12-二烯酰基]巨大戟萜醇(3)、3-O-(2,3-二甲基丁酰基)-13-O-十二烷酰基-20-O-(十八烷-9Z-烯酰基)巨大戟萜醇(4)、甘遂素I(5)、甘遂素J(6)、甘遂素K(7)、甘遂素L(8)和甘遂素M(9).     

Kansuinine J,a new macrocyclic diterpenoid from the roots of Euphorbia kansui

<正>A new macrocyclic diterpenoid,named kansuinine J(1),was isolated from the roots of Euphorbia kansui.Its structure was characterized on the basis of spectroscopic analysis.     

Dissecting chemical markers for controlling “Paozhi” method of traditional Chinese medicine with untargeted metabolomics: Vinegar-baked Euphorbia kansui as a case study

The processing of Traditional Chinese Medicine requires the appropriate parameters, while the specific chemical markers are still absent to obtain the optimized processing. In this study, we used vinegar-baked Euphorbia kansui as a case to dissect the chemical markers for the baking process using untargeted metabolomics. The robust chemical markers were selected based on the three rules, correlation, significant difference, and controllability. All the differential features were categorized based on their mass defects. After the differential analysis, 310 differential compounds were screened out and could be mainly divided into six categories: diacylglycerols and triacylglycerols demonstrated increasing trends with the baking time in the discriminant model, while ingenane-type diterpenes, jatrophane-type diterpenes, fatty acid esters, and fatty acids had decreasing trends. It was unexpected to find that the diterpenes did not correlate with the baking time. Only very few compounds meet the three rules. They were validated with a high-performance liquid chromatography method. Finally, only 13-Hydroxy-9,11-octadecadienoic acid and its isomer 9-Hydroxy-10,12-octadecadienoic acid could be used further to differentiate the commercial vinegar-baked Euphorbia kansui. It would be of interest to evaluate whether these two compounds could be utilized as markers to control more processing methods in future studies.